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Only issue FFT warning messages on changes
2017-11-08
Magnus Lundb
o
rg
Update t
o
TNG v 1
.
8
.
1
commit
|
commitdiff
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tree
2017-10-13
Magn
u
s
L
undborg
Do not include headers
r
elat
e
d t
o
Observabl
e
sHistory
commit
|
commitdiff
|
tree
2017-10-03
Magnu
s
Lundborg
Write at
o
m masses and
p
arti
a
l charges to TNG
commit
|
commitdiff
|
tree
2017-06-11
Magn
u
s
Lu
n
dborg
Updated
TNG
t
o
ver
s
ion 1
.
8
commit
|
commitdiff
|
tree
2015-12-05
Magn
u
s Lundb
o
r
g
Writ
e
forces and velo
c
ities to compre
s
s
e
d
T
NG
.
commit
|
commitdiff
|
tree
2015-11-30
Magnus Lundborg
Fi
x
ed
ty
p
os in output
.
commit
|
commitdiff
|
tree
2015-11-25
Ma
g
n
u
s Lund
b
o
r
g
Use local variab
l
es
i
nstead of those in *ir
.
commit
|
commitdiff
|
tree
2015-06-24
M
agnus Lu
n
d
borg
U
p
dat
e
header when appendin
g
to TNG file
.
commit
|
commitdiff
|
tree
2015-06-12
Magnus Lundbor
g
TNG version 1
.
7
.
6
commit
|
commitdiff
|
tree
2015-05-16
Magnus Lundborg
TNG
v
ersion 1
.
7
.
5
commit
|
commitdiff
|
tree
2015-04-21
M
a
gnus Lundborg
T
N
G v
e
r
s
ion 1
.
7
.
3
commit
|
commitdiff
|
tree
2014-11-24
Magnus Lun
d
borg
W
h
en writing TN
G
the
i
n
put must
contain molecule data
.
commit
|
commitdiff
|
tree
2014-09-02
Magnus Lundborg
TNG Fi
x
for G
M
X_DOUB
L
E b
u
ilds and where ZLIB is not
.
.
.
commit
|
commitdiff
|
tree
2014-09-02
Mag
n
us Lund
b
org
Fix data
bl
o
ck length when uncompr
e
ssing
TNG
d
ata
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lundborg
TNG:
H
andl
e
l
arge fi
l
es on 32 bit
systems
.
commit
|
commitdiff
|
tree
2014-09-01
Magnus Lundborg
Wh
e
n
writing TNG
inclu
d
e file closi
n
g in wallcycle
.
commit
|
commitdiff
|
tree
2014-08-21
Magnus
Lundbo
r
g
Fixed T
N
G
memory alignment p
r
oblem and rese
t
pointers
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
Fix b
u
g causing reading
nex
t
fram
e
not to stop
.
commit
|
commitdiff
|
tree
2014-07-05
Magnus Lundborg
F
i
x
t
ng_num_
f
ram
e
_
sets_
g
e
t() with no frame sets
.
commit
|
commitdiff
|
tree
2014-06-28
Mag
n
us Lundborg
Update TNG build
sys
t
em
commit
|
commitdiff
|
tree
2014-06-24
Ma
g
nus Lundborg
I
mproved
c
heck to decide if to ad
d
c
h
ain
/
r
e
sidue
.
commit
|
commitdiff
|
tree
2014-06-19
Magnus Lun
d
b
org
Bumped
t
he TNG
l
ibrary
to the
l
ate
s
t
v
e
rsion
.
commit
|
commitdiff
|
tree
2014-05-31
M
a
gnus Lund
b
org
Fix bug writi
n
g TNG o
u
tput from
dump
.
commit
|
commitdiff
|
tree
2014-05-31
M
a
gnus Lun
d
b
o
rg
Bug fix in
the TNG library to
i
mprove reading
.
commit
|
commitdiff
|
tree
2014-04-24
Mag
n
us L
u
ndborg
More effic
i
ent TNG se
l
ec
t
ion group crea
t
ion
commit
|
commitdiff
|
tree
2014-04-16
Magnus Lundborg
Fixed bug invertin
g
c
ompression preci
s
ion
.
commit
|
commitdiff
|
tree
2014-03-01
Magnus Lu
n
dborg
Bu
m
ped
T
NG t
o
lat
e
st version
.
commit
|
commitdiff
|
tree
2014-02-13
M
a
gnus L
u
ndborg
One
m
ore bump
o
f the TNG
ver
s
ion
.
commit
|
commitdiff
|
tree
2014-02-13
M
ag
n
us Lun
d
borg
Removed
o
p
tion to u
s
e OpenMP with the TNG lib
r
ary
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lu
n
dborg
Enable TNG b
u
ilds
on W
i
ndow
s
by
d
efault
.
commit
|
commitdiff
|
tree
2014-02-12
Magnus Lund
b
o
r
g
Bumped TNG to
l
atest
version
.
commit
|
commitdiff
|
tree
2014-02-11
Magnus Lundborg
Added infor
m
at
i
on
a
b
out how to cite the TNG paper
.
commit
|
commitdiff
|
tree
2014-01-20
Magnus Lundborg
Ad
d
TNG writ
i
ng and reading support
commit
|
commitdiff
|
tree
2013-10-29
Magnus Lundbor
g
Fixed m
e
mory leak in
gmxdump
.
commit
|
commitdiff
|
tree
2013-09-02
Magnus Lundborg
Set upper c
a
s
e of
F
FTW variable
a
t the right pl
a
ce
.
commit
|
commitdiff
|
tree
2013-04-29
Magnus Lundborg
F
ixes "Fu
n
ction type U-B not
implem
e
nted
in ip_pert
.
"
commit
|
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|
tree